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BioLiP

PDB CCD ID: SB8
Number of entries in BioLiP: 1
Chemical formula: C16 H15 N O4
InChI: InChI=1S/C16H15NO4/c18-12-17(20)9-10-21-15-8-4-7-14(11-15)16(19)13-5-2-1-3-6-13/h1-8,11-12,20H,9-10H2
InChIKey: ZHFKBNAHHTUQBH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(=O)c2cccc(c2)OCCN(C=O)O
ACDLabs 10.04O=CN(O)CCOc1cc(ccc1)C(=O)c2ccccc2
CACTVS 3.341ON(CCOc1cccc(c1)C(=O)c2ccccc2)C=O
Name:2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE;
SB-543668
DrugBank: DB08524
ZINC: ZINC000014976917
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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